N'-ethylbut-2-enediamide

C6H10N2O2 — CID 54041693

IUPACN'-ethylbut-2-enediamide
SMILESCCNC(=O)C=CC(N)=O
InChIInChI=1S/C6H10N2O2/c1-2-8-6(10)4-3-5(7)9/h3-4H,2H2,1H3,(H2,7,9)(H,8,10)
InChIKeyLMUKJAZFWLIKCI-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.84
Rot. Bonds3

About N'-ethylbut-2-enediamide

N'-ethylbut-2-enediamide (PubChem CID 54041693) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N'-ethylbut-2-enediamide.

Molecular Properties

Compound NameN'-ethylbut-2-enediamide
PubChem CID54041693
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN'-ethylbut-2-enediamide
SMILESCCNC(=O)C=CC(N)=O
InChIInChI=1S/C6H10N2O2/c1-2-8-6(10)4-3-5(7)9/h3-4H,2H2,1H3,(H2,7,9)(H,8,10)
InChIKeyLMUKJAZFWLIKCI-UHFFFAOYSA-N
XLogP-0.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethylbut-2-enediamide?
The IUPAC name of N'-ethylbut-2-enediamide (CID 54041693) is N'-ethylbut-2-enediamide.
What is the SMILES notation for N'-ethylbut-2-enediamide?
The canonical SMILES for N'-ethylbut-2-enediamide is CCNC(=O)C=CC(N)=O.
What is the InChIKey of N'-ethylbut-2-enediamide?
The InChIKey is LMUKJAZFWLIKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-8-6(10)4-3-5(7)9/h3-4H,2H2,1H3,(H2,7,9)(H,8,10).
What are the key properties of N'-ethylbut-2-enediamide?
N'-ethylbut-2-enediamide has a molecular weight of 142.16 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylbut-2-enediamide is sourced from PubChem (CID 54041693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).